Crystallography Open Database

Information card for entry 7060490

Preview

Coordinates	7060490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C175 H148 Cl2 N2 Se4 Si2
Calculated formula	C175 H148 Cl2 N2 Se4 Si2
Title of publication	Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons
Authors of publication	Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	16
Pages of publication	7247 - 7255
a	14.4559 ± 0.0001 Å
b	15.346 ± 0.0001 Å
c	17.1593 ± 0.0001 Å
α	92.199 ± 0.001°
β	104.095 ± 0.001°
γ	101.54 ± 0.001°
Cell volume	3602.16 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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